Mechanistic aspects of hydrogen abstraction for phenolic antioxidants. Electronic structure and topological electron density analysis
- Author
- SINGH, Nakul1 ; O'MALLEY, Patrick J1 ; POPELIER, Paul L. A1
[1] School of Chemistry, Sackville Site, The University of Manchester, Manchester, M60 1QD, United Kingdom - Source
PCCP. Physical chemistry chemical physics (Print). 2005, Vol 7, Num 4, pp 614-619, 6 p ; ref : 38 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Calcul Corrélation Densité électron Electron Energie activation Enlèvement hydrogène Enthalpie Etat transition Fonctionnelle densité Hydrogène ion Liaison hydrogène Moment dipolaire Mécanisme Méthode fonctionnelle densité Phénol Phénols Structure électronique Transfert hydrogène Transfert proton Transfert électron Composé benzénique Propriété thermodynamique
- Keyword (en)
- Calculation Correlation Electron density Electrons Activation energy Hydrogen abstraction Enthalpy Transition state Density functional Hydrogen ion Hydrogen bond Dipole moment Mechanism Density functional method Phenol Phenols Electronic structure Hydrogen transfer Proton transfer Electron transfer Benzenic compound Thermodynamic properties
- Keyword (es)
- Cálculo Correlación Densidad electrón Electrón Energía activación Abstracción hidrógeno Entalpía Estado transitorio Funciónal densidad Hidrógeno ión Enlace hidrógeno Momento dipolar Mecanismo Fenol Fenoles Estructura electrónica Transferencia hidrógeno Transferencia protón Transferencia electrón Compuesto bencénico Propiedad termodinámica
- Classification
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 16549192
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1039/B415075A 
https://dx.doi.org/10.1039/B415075A
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